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MAYBRIDGE-ZINC03118292

 MMsINC code: MMs02160268
Type: Neutral
Formula: C14H8Cl2F3NO2S
SMILES:   Clc1cc(Cl)c(Sc2ccc(cc2[N+](=O)[O-])C(F)(F)F)cc1C
InChI:   InChI=1/C14H8Cl2F3NO2S/c1-7-4-13(10(16)6-9(7)15)23-12-3-2-8(14(17,18)19)5-11(12)20(21)22/h2-6H,1H3

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Potential Energy
Epot(MMFF94)=99.6209 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.189 g/mol  logS: -7.70597  SlogP: 6.69152  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126953  Sterimol/B1: 2.43765  Sterimol/B2: 4.40016  Sterimol/B3: 5.72104
  Sterimol/B4: 6.52059  Sterimol/L: 13.9326 
 
 Surface and Volume Properties
  Accessible surface: 521.96  Positive charged surface: 140.102  Negative charged surface: 381.857  Volume: 282.125
  Hydrophobic surface: 326.146  Hydrophilic surface: 195.814
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.